(3aS,4R,7aR)-2-[3,5-bis(trifluoromethyl)phenyl]-4-(hydroxymethyl)-5-[(1R,4E)-4-[(4-hydroxyphenyl)methylidene]-1-oxidanyl-heptyl]-6-propan-2-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: (3aS,4R,7aR)-2-[3,5-bis(trifluoromethyl)phenyl]-4-(hydroxymethyl)-5-[(1R,4E)-4-[(4-hydroxyphenyl)methylidene]-1-oxidanyl-heptyl]-6-propan-2-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: (3aS,4R,7aR)-2-[3,5-bis(trifluoromethyl)phenyl]-5-[(1R,4E)-1-hydroxy-4-[(4-hydroxyphenyl)methylene]heptyl]-4-(hydroxymethyl)-6-isopropyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: (3aS,4R,7aR)-2-[3,5-bis(trifluoromethyl)phenyl]-5-[(1R,4E)-1-hydroxy-4-[(4-hydroxyphenyl)methylidene]heptyl]-4-(hydroxymethyl)-6-propan-2-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: (3aS,4R,7aR)-2-[3,5-bis(trifluoromethyl)phenyl]-5-[(1R,4E)-1-hydroxy-4-[(4-hydroxyphenyl)methylidene]heptyl]-4-(hydroxymethyl)-6-propan-2-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: (3aS,4R,7aR)-2-[3,5-bis(trifluoromethyl)phenyl]-5-[(E,1R)-1-hydroxy-5-(4-hydroxyphenyl)-4-propyl-pent-4-enyl]-6-isopropyl-4-methylol-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C34H37F6NO5 MolecularWeight: 653.651699

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=CC1=CC=C(C=C1)O)CCC(C2=C(CC3C(C2CO)C(=O)N(C3=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C(C)C)O

Isomeric SMILES

CCC/C(=C\C1=CC=C(C=C1)O)/CC[C@H](C2=C(C[C@@H]3[C@H]([C@H]2CO)C(=O)N(C3=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C(C)C)O

InChI

InChI=1S/C34H37F6NO5/c1-4-5-19(12-20-6-9-24(43)10-7-20)8-11-28(44)29-25(18(2)3)16-26-30(27(29)17-42)32(46)41(31(26)45)23-14-21(33(35,36)37)13-22(15-23)34(38,39)40/h6-7,9-10,12-15,18,26-28,30,42-44H,4-5,8,11,16-17H2,1-3H3/b19-12+/t26-,27+,28-,30-/m1/s1